(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide

C19H18Cl2N2O3S — CID 139047987

IUPAC(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C19H18Cl2N2O3S/c1-19(2,3)27(25,26)22-17-12-7-4-5-10-16(12)23(18(17)24)11-13-14(20)8-6-9-15(13)21/h4-10H,11H2,1-3H3/b22-17+
InChIKeyVTDSBWNHHFZOMM-OQKWZONESA-N
MW425.34 g/mol
LogP4.46
Rot. Bonds3

About (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide

(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide (PubChem CID 139047987) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide
PubChem CID139047987
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C19H18Cl2N2O3S/c1-19(2,3)27(25,26)22-17-12-7-4-5-10-16(12)23(18(17)24)11-13-14(20)8-6-9-15(13)21/h4-10H,11H2,1-3H3/b22-17+
InChIKeyVTDSBWNHHFZOMM-OQKWZONESA-N
XLogP4.46
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide with MolForge

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Related Compounds

Ldn-57444
CID 16760696
(2E)-2-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-N,1-dimethylhydrazinecarbothioamide
CID 6859846
[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 51537051
4-[(5-Chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
CID 127030963
4-[2-[(1-Methyl-2-oxoindol-3-ylidene)amino]ethyl]benzenesulfonamide
CID 137638456
4-[2-[(5-Chloro-1-methyl-2-oxoindol-3-ylidene)amino]ethyl]benzenesulfonamide
CID 137654343
4-[2-[(1-Benzyl-5-chloro-2-oxoindol-3-ylidene)amino]ethyl]benzenesulfonamide
CID 137656796
UCH-L1 Inhibitor
CID 24906255
N-[(2-chlorophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 16021476
1'-[(4-chlorobenzyl)sulfonyl]-1-ethylspiro[indole-3,4'-piperidin]-2(1{H})-one
CID 91904612
1'-[(2-Chlorophenyl)methanesulfonyl]-1-ethyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
CID 91904613
1-(2,6-dichlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 3692930

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide?
The IUPAC name of (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide (CID 139047987) is (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide?
The canonical SMILES for (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide?
The InChIKey is VTDSBWNHHFZOMM-OQKWZONESA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-19(2,3)27(25,26)22-17-12-7-4-5-10-16(12)23(18(17)24)11-13-14(20)8-6-9-15(13)21/h4-10H,11H2,1-3H3/b22-17+.
What are the key properties of (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide?
(NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide has a molecular weight of 425.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 139047987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).